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Ligand · ECE

ECE · Caprolactone

ECE, Caprolactone (C6 H10 O2, 114.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
ECE
Formula
C6 H10 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

ECE in 4 structures; the first of them:

  • 4RG3 · Epsilon-caprolactone-bound crystal structure of cyclohexa monooxygenase in the Tight… · ECE A603 · binds LEU146, PHE248, PHE279, ARG329, PHE434, THR435, LEU437, TRP492
  • 4RG4 · Epsilon-caprolactone-bound crystal structure of cyclohexa monooxygenase in the Loose… · ECE A603 · binds ASP59, PHE248, PHE279, ARG329, PHE434, THR435, LEU437
  • 4RG3 · Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the tight… · ECE A603 · binds LEU146, PHE248, PHE279, ARG329, PHE434, THR435, LEU437, TRP492
  • 4RG4 · Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the loose… · ECE A603 · binds ASP59, PHE248, PHE279, ARG329, PHE434, THR435, LEU437

Residues it binds most

PHE 4, LEU 4, ARG 4, THR 4, ASP 2, TRP 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • BCN · Bicine
  • PTD · Pentanedial

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